7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline

C57H35N5S — CID 164716729

IUPAC7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1
InChIInChI=1S/C57H35N5S/c1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-27-26-37(32-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62/h1-35H
InChIKeyMLQPHSXTAQNYQN-UHFFFAOYSA-N
MW822.01 g/mol
LogP15.10
Rot. Bonds6

About 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline

7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline (PubChem CID 164716729) has the molecular formula C57H35N5S and a molecular weight of 822.01 g/mol. Its IUPAC name is 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline.

Molecular Properties

Compound Name7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
PubChem CID164716729
Molecular FormulaC57H35N5S
Molecular Weight822.01 g/mol
Exact Mass821.26
IUPAC Name7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
SMILESc1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1
InChIInChI=1S/C57H35N5S/c1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-27-26-37(32-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62/h1-35H
InChIKeyMLQPHSXTAQNYQN-UHFFFAOYSA-N
XLogP15.10
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.01
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716078
7-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;7-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2,3,4-triphenylthieno[3,2-c]quinoline;2,3,4-triphenyl-7-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]thieno[3,2-c]quinoline
CID 165100373
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-2,3-dipyridin-4-ylthieno[3,2-c]quinoline;8-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;methane;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 165068687
4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline
CID 164716665
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-diphenylthieno[3,2-c]quinoline
CID 164716443
8-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenyl-1,2-dipyridin-3-ylthieno[2,3-c]quinoline;4-phenyl-8-(9-phenyl-1,10-phenanthrolin-2-yl)-1,2-dipyridin-4-ylthieno[2,3-c]quinoline
CID 165014335
4-phenyl-8-[4-(2-phenylquinazolin-4-yl)phenyl]-3-pyridin-3-yl-2-pyridin-4-ylthieno[3,2-c]quinoline
CID 164716940
7-[3,5-di(carbazol-9-yl)phenyl]-1,2,4-triphenylfuro[2,3-c]quinoline
CID 164716068
4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-dipyridin-3-ylthieno[3,2-c]quinoline;4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-2,3-dipyridin-4-ylthieno[3,2-c]quinoline
CID 165096204
4-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,3-dipyridin-2-ylthieno[3,2-c]quinoline
CID 164716285
3-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 146498567
18-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 129119534

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The IUPAC name of 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline (CID 164716729) is 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline.
What is the SMILES notation for 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The canonical SMILES for 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline is c1ccc(-c2nc3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)ccc3c3sc(-c4cccnc4)c(-c4cccnc4)c23)cc1.
What is the InChIKey of 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
The InChIKey is MLQPHSXTAQNYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N5S/c1-2-14-36(15-3-1)55-54-53(38-16-12-28-58-34-38)56(39-17-13-29-59-35-39)63-57(54)47-27-26-37(32-48(47)60-55)40-30-41(61-49-22-8-4-18-43(49)44-19-5-9-23-50(44)61)33-42(31-40)62-51-24-10-6-20-45(51)46-21-7-11-25-52(46)62/h1-35H.
What are the key properties of 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline?
7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline has a molecular weight of 822.01 g/mol, XLogP of 15.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-di(carbazol-9-yl)phenyl]-4-phenyl-2,3-dipyridin-3-ylthieno[3,2-c]quinoline is sourced from PubChem (CID 164716729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).